N-(4-Chloro-phen-yl)-3,4,5-trimethoxy-benzamide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Intermolecular interactions, such as hydrogen bonding, play a key role in determining crystal packing and material characteristics.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of the title compound, C(16)H(16)ClNO(4).
• To investigate the nature and influence of intermolecular forces within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular conformation.
• Intermolecular interactions, including hydrogen bonding, were identified and characterized.

Main Results:

• The dihedral angle between the two aromatic rings in the title compound was determined to be 67.33(8)°.
• Strong intermolecular N-H⋯O hydrogen bonds were observed, linking molecules into chains along the [01] direction.
• The crystal packing is dominated by these hydrogen bonding interactions.

Conclusions:

• The determined molecular geometry and crystal structure provide fundamental data for the title compound.
• The prevalence of N-H⋯O hydrogen bonds highlights their importance in directing the self-assembly of these molecules into extended chains.
• This structural information is valuable for further studies on related compounds and potential applications.